Objective
The aim of my project is to calculate the electronic, structural, and dynamical transport properties of nanoscale devices, focusing on nanowires and systems used in molecular electronics. These systems will build the next generation of integrated circuitry in computers, and already find applications in light-emitting diodes and nano-scale sensors and actuators. The electronic structure of nanojunctions determines their physical, chemical, and transport properties. I will employ the GW approximation to calculate accurately the electronic structure of these systems. This is implemented very efficiently in the space-time approach developed by the group of Professor Godby, which will be used in this project.
This approach is part of a large-scale collaboration, with groups throughout Europe, on electronic excitations and theoretical spectroscopy. The program also calculates total energies, which I will use to determine ground-state properties. The structure of polymers and many other systems involve weak forces, which are beyond the reach of standard density-functional calculations. Finally, a linear-response approach has been implemented by Peter Bokes (STU. Bratislava) to calculate transport properties abinitio. I will expand this implementation, integrating the GW electronic structure, and applying it to determine the conductance of nanoscale devices. Integrated in an extensive network of researchers, my project will further the state-of-the-art in transport theory, and broaden the perspective of applications to nanoscale systems of technological interest.
Both of these avenues are essential to research in the domain, and to the mastering of new molecular technologies. The high-quality training received in the host group and the opportunities for research and dev eloping future themes will be an essential step in my scientific career.
Fields of science (EuroSciVoc)
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
CORDIS classifies projects with EuroSciVoc, a multilingual taxonomy of fields of science, through a semi-automatic process based on NLP techniques. See: The European Science Vocabulary.
- natural sciences chemical sciences polymer sciences
- engineering and technology electrical engineering, electronic engineering, information engineering electronic engineering sensors
- natural sciences chemical sciences inorganic chemistry metalloids
- natural sciences physical sciences optics spectroscopy
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Keywords
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Project’s keywords as indicated by the project coordinator. Not to be confused with the EuroSciVoc taxonomy (Fields of science)
Programme(s)
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Multi-annual funding programmes that define the EU’s priorities for research and innovation.
Topic(s)
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Calls for proposals are divided into topics. A topic defines a specific subject or area for which applicants can submit proposals. The description of a topic comprises its specific scope and the expected impact of the funded project.
Call for proposal
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
Procedure for inviting applicants to submit project proposals, with the aim of receiving EU funding.
FP6-2004-MOBILITY-5
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Funding Scheme
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Funding scheme (or “Type of Action”) inside a programme with common features. It specifies: the scope of what is funded; the reimbursement rate; specific evaluation criteria to qualify for funding; and the use of simplified forms of costs like lump sums.
Coordinator
YORK
United Kingdom
The total costs incurred by this organisation to participate in the project, including direct and indirect costs. This amount is a subset of the overall project budget.